4-Amino-3-(trifluoromethyl)benzenesulfonic acid
TL;DR: 4-Amino-3-(trifluoromethyl)benzenesulfonic acid (CAS 367-72-6) is a chemical compound with molecular formula C7H6F3NO3S and molecular weight 241.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-(trifluoromethyl)benzenesulfonic acid
Also Known As: 4-amino-3-(trifluoromethyl)benzenesulfonic acid, 4-Amino-alpha, alpha, alpha-trifluoro-m-toluenesulfonic acid
| Molecular Formula | C7H6F3NO3S |
|---|---|
| Molecular Weight | 241.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.00204 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 367-72-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)C(F)(F)F)N |
| InChIKey | HMMQIMABXGTJJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-3-(trifluoromethyl)benzenesulfonic acid (CAS 367-72-6), with molecular formula C7H6F3NO3S and molecular weight 241.00 g/mol. IUPAC: 4-amino-3-(trifluoromethyl)benzenesulfonic acid.
Chemical Property Profile of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid
Property Insights of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-(trifluoromethyl)benzenesulfonic acid. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(trifluoromethyl)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-Amino-3-(trifluoromethyl)benzenesulfonic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid?
The CAS number of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid is 367-72-6.
What is the molecular formula of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid?
The molecular formula of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid is C7H6F3NO3S.
What is the molecular weight of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid?
The molecular weight of 4-Amino-3-(trifluoromethyl)benzenesulfonic acid is 241.00 g/mol.
Where can I buy 4-Amino-3-(trifluoromethyl)benzenesulfonic acid?
You can request a quote for 4-Amino-3-(trifluoromethyl)benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(trifluoromethyl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(trifluoromethyl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.